9,9'-spirobi[fluorene]-2,2',7,7'-tetramine

C25H20N4 — CID 66807100

IUPAC9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
SMILESNc1ccc2c(c1)C1(c3cc(N)ccc3-2)c2cc(N)ccc2-c2ccc(N)cc21
InChIInChI=1S/C25H20N4/c26-13-1-5-17-18-6-2-14(27)10-22(18)25(21(17)9-13)23-11-15(28)3-7-19(23)20-8-4-16(29)12-24(20)25/h1-12H,26-29H2
InChIKeyPTQXFKFYBWOKTN-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.36
Rot. Bonds

About 9,9'-spirobi[fluorene]-2,2',7,7'-tetramine

9,9'-spirobi[fluorene]-2,2',7,7'-tetramine (PubChem CID 66807100) has the molecular formula C25H20N4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 9,9'-spirobi[fluorene]-2,2',7,7'-tetramine.

Molecular Properties

Compound Name9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
PubChem CID66807100
Molecular FormulaC25H20N4
Molecular Weight376.46 g/mol
Exact Mass376.17
IUPAC Name9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
SMILESNc1ccc2c(c1)C1(c3cc(N)ccc3-2)c2cc(N)ccc2-c2ccc(N)cc21
InChIInChI=1S/C25H20N4/c26-13-1-5-17-18-6-2-14(27)10-22(18)25(21(17)9-13)23-11-15(28)3-7-19(23)20-8-4-16(29)12-24(20)25/h1-12H,26-29H2
InChIKeyPTQXFKFYBWOKTN-UHFFFAOYSA-N
XLogP4.36
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,9'-spirobi[fluorene]-2,2',7,7'-tetramine?
The IUPAC name of 9,9'-spirobi[fluorene]-2,2',7,7'-tetramine (CID 66807100) is 9,9'-spirobi[fluorene]-2,2',7,7'-tetramine.
What is the SMILES notation for 9,9'-spirobi[fluorene]-2,2',7,7'-tetramine?
The canonical SMILES for 9,9'-spirobi[fluorene]-2,2',7,7'-tetramine is Nc1ccc2c(c1)C1(c3cc(N)ccc3-2)c2cc(N)ccc2-c2ccc(N)cc21.
What is the InChIKey of 9,9'-spirobi[fluorene]-2,2',7,7'-tetramine?
The InChIKey is PTQXFKFYBWOKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4/c26-13-1-5-17-18-6-2-14(27)10-22(18)25(21(17)9-13)23-11-15(28)3-7-19(23)20-8-4-16(29)12-24(20)25/h1-12H,26-29H2.
What are the key properties of 9,9'-spirobi[fluorene]-2,2',7,7'-tetramine?
9,9'-spirobi[fluorene]-2,2',7,7'-tetramine has a molecular weight of 376.46 g/mol, XLogP of 4.36, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9'-spirobi[fluorene]-2,2',7,7'-tetramine is sourced from PubChem (CID 66807100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).